SCHEMBL5040876

SCHEMBL5040876

O=C(Nc1nc2cc(OS(=O)(=O)c3ccc(NCc4cccnc4)cc3)ccc2[nH]1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NAMPT P43490 9/20 0.42
KMT2A Q03164 1/20 0.41
ENPP3 O14638 3/20 0.40
ENPP1 P22413 3/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ENPP2 Q13822 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5043081 0.91 SMN1; SMN2 (0.48) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5036505 0.90 SMN1; SMN2 (0.43) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5036631 0.87 KMT2A (0.45) SMN1; SMN2ALDH1A1KMT2AENPP3ENPP1
SCHEMBL5036479 0.86 ULK1 (0.45) SMN1; SMN2ALDH1A1KMT2AENPP3ENPP1
SCHEMBL5036147 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5037833 0.86 ENPP1 (0.51) SMN1; SMN2KMT2AENPP3ENPP1NPC1
SCHEMBL5040722 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ENPP3ENPP1NPC1RAB9A
SCHEMBL5033498 0.86 ENPP3 (0.44) SMN1; SMN2ALDH1A1HTTKMT2AENPP3
SCHEMBL5033545 0.85 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1ENPP3ENPP1NPC1
SCHEMBL5036041 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ENPP3ENPP1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432417-B1 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2008-02-20 EP disclosed
US-7041668-B2 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer AVENTIS PHARMA S.A. (FR) 2005-01-20 US disclosed
EP-1432417-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER Aventis Pharma S.A. (FR) 2004-06-30 EP disclosed
WO-2003028721-A2 SUBSTITUTED BENZIMIDAZOLE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF CANCER AVENTIS PHARMA S.A. (FR) 2003-04-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050014811-A1 Substituted benzimidazole compounds and their use for the treatment of cancer CDKL3, CCNL2, CDKL1 SMN1; SMN2 2426/4885ALDH1A1 1134/4885HTT 3784/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.